AE24946
100615-14-3 | 1-Cyclohexyl-3H-1,3-benzodiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AE24946
ChemicalName
1-Cyclohexyl-3H-1,3-benzodiazol-2-one
CasNumber
100615-14-3
MolecularFormula
C13H16N2O
MolecularWeight
216.2789
MdlNumber
MFCD02271220
Smiles
O=c1[nH]c2c(n1C1CCCCC1)cccc2
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AE24946
ChemicalName: 1-Cyclohexyl-3H-1,3-benzodiazol-2-one
CasNumber: 100615-14-3
MolecularFormula: C13H16N2O
MolecularWeight: 216.2789
MdlNumber: MFCD02271220
Smiles: O=c1[nH]c2c(n1C1CCCCC1)cccc2
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AE24946
ChemicalName:
1-Cyclohexyl-3H-1,3-benzodiazol-2-one
CasNumber:
100615-14-3
MolecularFormula:
C13H16N2O
MolecularWeight:
216.2789
MdlNumber:
MFCD02271220
Smiles:
O=c1[nH]c2c(n1C1CCCCC1)cccc2
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1ccc(c(c1)C(=O)O)F
Complexity: 287
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1ccc(c(c1)C(=O)O)F
Complexity:
287
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: AE24948
ChemicalName: Methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate
CasNumber: 108783-91-1
MolecularFormula: C13H14O5
MolecularWeight: 250.2473
MdlNumber: MFCD05686794
Smiles: CCOc1ccc(cc1)C(=O)CC(=O)C(=O)OC
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 1.8
CatalogNumber:
AE24948
ChemicalName:
Methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate
CasNumber:
108783-91-1
MolecularFormula:
C13H14O5
MolecularWeight:
250.2473
MdlNumber:
MFCD05686794
Smiles:
CCOc1ccc(cc1)C(=O)CC(=O)C(=O)OC
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
1.8
CatalogNumber: AE24949
ChemicalName: 3-Iodo-2-methoxy-5-methylpyridine
CasNumber: 1203499-63-1
MolecularFormula: C7H8INO
MolecularWeight: 249.049
MdlNumber: MFCD13176638
Smiles: COc1ncc(cc1I)C
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AE24949
ChemicalName:
3-Iodo-2-methoxy-5-methylpyridine
CasNumber:
1203499-63-1
MolecularFormula:
C7H8INO
MolecularWeight:
249.049
MdlNumber:
MFCD13176638
Smiles:
COc1ncc(cc1I)C
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.2